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Home > Indoles and Oxindole > 256458-53-4
256458-53-4 | [4-(tert-butyl)phenyl][4-(1H-indol-4-yl)piperazino]methanone
CAS No: 256458-53-4 Catalog No: AG01CALD MDL No:MFCD00829515
Product Description
Catalog Number:
AG01CALD
Chemical Name:
[4-(tert-butyl)phenyl][4-(1H-indol-4-yl)piperazino]methanone
CAS Number:
256458-53-4
Molecular Formula:
C23H27N3O
Molecular Weight:
361.4800
MDL Number:
MFCD00829515
IUPAC Name:
(4-tert-butylphenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
InChI:
InChI=1S/C23H27N3O/c1-23(2,3)18-9-7-17(8-10-18)22(27)26-15-13-25(14-16-26)21-6-4-5-20-19(21)11-12-24-20/h4-12,24H,13-16H2,1-3H3
InChI Key:
SQKAKDPZKGGJJG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)N1CCN(CC1)c1cccc2c1cc[nH]2
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.215g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.489g/mol
Monoisotopic Mass:
361.215g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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